
    alatis_output_mol

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.1534   -6.1026    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994   -1.0113    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -5.1621    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1739    0.4955   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.3367   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9837   -0.8760    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4160   -0.5559    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    0.8191   -0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -1.4273    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3488   -3.7118   -0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000    1.7350   -0.0421 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3294   -2.8433    0.3057 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -3.4167   -0.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274   -7.1452    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6531   -5.9597   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941   -5.9283    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3231   -0.2386    1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640   -1.8707    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3987   -1.2358   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1874   -5.4367   -0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602   -5.2580    1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772    0.9066   -0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288    2.4059   -0.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650   -1.5124    0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677    1.3145   -0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    2.5916   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5756   -3.2809    0.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4 22  1  0  0  0  0
  5  4  1  0  0  0  0
  5  8  2  0  0  0  0
  5 23  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12  9  1  0  0  0  0
 12 27  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <ID>
Z235361315

>  <Barcode>
9990531998

>  <Well>
C10

>  <Plate_ID>
816280-05

>  <MW>
178.24

>  <Well_volume_uL>
200

>  <Concentration_mM>
50

> <ALATIS_Standard_InChI>
InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)

> <ALATIS_Warnings>

> <ALATIS_Errors>

> <ALATIS_Map>
new index	atom name	original index
1	C	13
2	C	9
3	C	11
4	C	10
5	C	12
6	C	8
7	C	1
8	C	5
9	C	2
10	C	4
11	N	7
12	N	3
13	O	6
14	H	26
15	H	25
16	H	27
17	H	19
18	H	18
19	H	20
20	H	22
21	H	23
22	H	21
23	H	24
24	H	17
25	H	15
26	H	16
27	H	14


> <ALATIS_Mixture_Map>

$$$$
